NMR Case Studies: Data Analysis of Complicated Molecules provides a detailed discussion of the full logical flow associated with assigning the NMR spectra of complex molecules while helping readers further develop their NMR spectral assignment skills.

NMR Application

Solid Fat Content is the percentage of solids in fat at specified temperatures. Solid Fat Content (SFC) is an important characteristic that can influence appearance, flavor release, melt rate, shelf life and stability of fat based food products. In the chocolate industry it is desirable to manufacture products with the ideal Solid Fat Content that will allow for chocolate to remain solid at room temperature, but still give consumers that “melt in your mouth” experience. Knowing various characteristics of your product from solid fat content allows you to direct your manufacturing processes in a way that achieves the highest quality products.

The measurement of solid fat content (SFC) within the baking, confectionary and margarine industries is crucial as fats are a key component in many processed foodstuffs produced within these industries. Fats are complex ingredients which play a key role in nutrition and consumer appeal of products. Measurement of solid fat content (SFC) is the industry standard approach to understanding the melting behaviour of edible oils and fats. The reason this is so important is that the melting profile of fats is one of the parameters which must be carefully controlled to ensure consistent products.

Solid Fat Content (SFC) determination is of prime importance for food processing and development.
Raw materials like fat compositions or blends need to be characterized and controlled according to their melting profiles. The SFC determination by time domain (TD) NMR analysis is the internationally recognized standard method. In a close partnership with the oil & fat industry spanning more than 4 decades we has developed its dedicated SFC Analyzer. All types of SFC methods are supported by the PQ001,including direct/indirect and parallel/serial methods.
The TD-NMR analysis provides a quick, non-destructive and solvent-free measurement. We also offers a fully automated solution including tempering procedures,NMR analyzer measurement, and determination of the SFC value plus presentation of the melting curve.
Solid Fat Content analysis is important for food manufacturers that produce fat based food products. Dynalene provides reliable solid fat content analysis with a quick turnaround time. With our top of the line DSC, Dynalene has the ability to test your fat based foods.

Nuclear magnetic resonance (NMR) spectroscopy is one of the most common investigative techniques used by both chemists and biochemists to identify molecular structures as well as to study the progress of chemical reactions. Magnetic resonance imaging (MRI), another type of NMR technology, has extensively been used in medical radiology to obtain soft tissue images for diagnostic purposes in medicine. Food scientists have also explored the use of both NMR and MRI and continue to develop a wide range of applications for food NMR analyzer and food processing. This review begins with a brief introduction to NMR and then focuses on current diverse NMR applications in food research and manufacturing.

Topics covered include chemical compositional analysis and structural identification of functional components in foods, determination of composition and formulation of packaging materials, detection of food authentication, optimization of food processing parameters, and inspection of microbiological, physical and chemical quality of foods. This review also emphasizes the pros and cons of specific NMR application in the analysis of representative foods such as wine, cheese, fruits, vegetables, meat, fish, beverages (i.e. tomato juice and pulp, green tea, coffee) and edible oils, as well as discussing both the challenges and future opportunities in NMR applications in food science.

This report reviews the literature on the applications of NMR to food science from 1995 until March 2001. In order to be able to keep the number of references to manageable proportions, the number of papers referred to has been limited to those applications where NMR plays a major role in the experimental programme. Applications where NMR is simply used as a routine structural tool have been left out. Following an introductory section, the report covers water in foods, biopolymers, analysis and authentication, complex systems, and new methods for food analysis.

Recent years have seen a significant progress in the study of porous media of natural and industrial sources. This paper provides a brief outline of the recent technical development of NMR in this area. These progresses are relevant for NMR application in material characterization.

The wettability conditions in a porous media containing two or more immiscible fluid phases determine the microscopic fluid distribution in the pore network. Nuclear magnetic resonance measurements are sensitive to wettability because of the strong effect that the solid surface has on promoting magnetic relaxation of the saturating fluid. The idea of using NMR as a tool to measure wettability was presented by Brown and Fatt in 1956. The magnitude of this effect depends upon the wettability characteristics of the solid with respect to the liquid in contact with the surface.Their theory is based on the hypothesis that molecular movements are slower in the bulk liquid than at the solid-liquid interface. In this solid-liquid interface the diffusion coefficient is reduced, which correspond to a zone of higher viscosity. In this higher viscosity zone, the magnetically aligned protons can more easily transfer their energy to their surroundings. The magnitude of this effect depends upon the wettability characteristics of the solid with respect to the liquid in contact with the surface.

NMR Cryoporometry (NMRC) is a recent technique for measuring total porosity and pore size distributions. It makes use of the Gibbs-Thomson effect : small crystals of a liquid in the pores melt at a lower temperature than the bulk liquid : The melting point depression is inversely proportional to the pore size. The technique is closely related to that of the use of gas adsorption to measure pore sizes (Kelvin equation). Both techniques are particular cases of the Gibbs Equations (Josiah Willard Gibbs): the Kelvin Equation is the constant temperature case, and the Gibbs-Thomson Equation is the constant pressure case.

To make a Cryoporometry measurement, a liquid is imbibed into the porous sample, the sample cooled until all the liquid is frozen, and then warmed slowly while measuring the quantity of the liquid that has melted. Thus it is similar to DSC thermoporosimetry, but has higher resolution, as the signal detection does not rely on transient heat flows, and the measurement can be made arbitrarily slowly. It is suitable for measuring pore diameters in the range 2 nm–2 μm.

Nuclear Magnetic Resonance (NMR) may be used as a convenient method of measuring the quantity of liquid that has melted, as a function of temperature, making use of the fact that the {\displaystyle T_{2}} T_{2} relaxation time in a frozen material is usually much shorter than that in a mobile liquid. The technique was developed at the University of Kent in the UK.It is also possible to adapt the basic NMRC experiment to provide structural resolution in spatially dependent pore size distributions, or to provide behavioural information about the confined liquid.porous media NMR

Niumag PQ001 Spin Finish Analyzer was launched in 2008. After years of upgrading, PQ001 has many advan ages such as small size, high precision, good repeatability, good stability and excellent cost/benefit characteristics. Based on these advantages, PQ001 has been widely used in the determination of oil content of textile fiber.

Decades ago, when fiber products were mainly processed within the same textile mill or factory, analytical testing was still in the fledgling stages if available at all. Over the years, as the industry grew and trade increased, mechanical tests and wet chemical analytical tests were introduced. The determination of the Spin Finish content on fiber materials quickly gained importance as a wet chemical extraction method. The testing was slow (at least a couple of hours), operator-dependent, destructive, and hazardous because it required extraction solvents.

Principles of NMR Method
The TD-NMR signal of a fiber sample exhibits different components, each characterized by a typical decay behaviour. Whereas the fiber shows a very rapid signal decay, moisture on the fiber is characterized by an intermediate relaxation behaviour.
Well separated from both is the NMR signal of Spin Finish. Therefore, Spin Finish can be observed and quantitatively analyzed by routine TD-NMR methods.

Applicability of Spin Finish Method
Bruker has proven in multiple studies that TD-NMR methodology works well for almost all types of fibers and Spin Finishes. Based on this experience of many years, multiple proven methods have been released, e.g. for technical and textile fibers multifilament, monofilament, staple fibers as well as texturized samples polyester, polyamide, polypropylene, polyethylene, polyacrylonitrile fibers and yarns polypropylene, polyethylene nonwovens.

For most of the last 10 years, niumag Instruments have been the industry standard throughout the world for finish on fibre determination by benchtop NMR. Synthetic fibres such as polyamide, polyester and nylon are sprayed with an oil-based coating (spin finish or OPU) to reduce static electricity and friction as well as enhance other physical characteristics.

Determination of the coating levels is vital for optimising the manufacturing process. Benchtop NMR is a clean, fast and accurate technique for the measurement of finish content and is a viable alternative to traditional wet chemical techniques which are time consuming, use hazardous chemicals and require skilled laboratory personnel. Also, NMR is capable of measuring finish levels below those accurately measurable by solvent extraction.

PQ001 NMR Analyzer was launched in 2008. After years of upgrading, PQ001 has many advantages such as small size, high precision, good repeatability, good stability and excellent cost/benefit characteristics. Based on these advantages, PQ001 has been widely used in the determination of oil content of textile fiber.
Basic Parameters:
Magnet type: permanent magnet
Magnetic field intensity: 0.5±0.08T
Probe: Ø25mm
Size (LxWxH): 1685mm×520mm×386mm
Weight: 134Kg
Functions:
Rapid determination of Spin Finish content of textile fiber

In many industries there is a requirement to accurately, reliably and simply measure the amount of a viscous or liquid component in the presence of other solid materials. The PQ001 meets this requirement with a technology that avoids the needs to separate the different phases; making sample preparation trivial, removes the need for extensive operator training, and provides fast accurate results. That means a more consistent product from your manufacturing operations, better process control, and reduced costs.

Our development and applications teams have created industry-specific applications for the following:

The PQ001 nmr analyzer is not just a benchtop system or mini NMR system; it is a dedicated analyzer providing a complete solution off the shelf. With easy installation, comprehensive calibration and calibration transfer standards, the PQ001 is ready for use within minutes. This approach is a result of Bruker`s extensive experience in these dedicated applications.

Ready-to-go

The PQ001 analyzers come complete, ready-to-install, with calibration standards and traceable multi-language software. The installation instructions can get easier than this: place the PQ001 on your lab bench, connect only two cables: the Ethernet cable to your PC and the power cord, switch it on and in 30 seconds the PQ001 is operational.

Better for your Laboratory

Nowadays, laboratory space is precious. The current version of PQ001 has a smaller footprint than its predecessor, thus requiring less valuable space on your laboratory bench. Moreover, the PQ001 is a quiet-runner, its low decibel operation noise will keep your laboratory quiet.

Performance You Can Rely On
Precise and long-term stable results can only be achieved with an optimal system layout. The PQ001 with its all-in-one design perfectly matches these requirements. Both long-term and short-term measurement stabilities for the application of interest have continually been improved further. The system`s internal temperature is kept at a constant higher than room temperature (typically, but not limited to 40 °C) to within a 1/100 of a degree Celsius to guarantee optimal performance in a 24/7 operation.

Quality control for consistency of food products from field to fork is of prime concern to manufacturers and consumers alike. Making products that look, smell and taste good ensures consumers come back for more. So, with an ever-growing population demanding more food products than ever before, simple instrumental test methods are required to provide quick and reproducible data from the field to the factory via the shopping cart to the consumer. For example, the measurement of oil and fats are invaluable in the control of many foods, particularly in snack food products such as potato chips. In a similar way, the quality of the simple bar of chocolate may be judged its solid fat content using a rapid measurement which will determine a perfect product while on the farm, oil in seeds is vital to productivity and yield, ultimately dictating the price the farmer is paid for his products.

Quality control for consistency of products at maximum yield produced in the most environmentally friendly yet cost-effective manner is a major driver in today’s agriculture markets.

With an ever-growing population demanding more food products than ever before, simple instrumental test methods are required to provide quick and reproducible data from the farm to the table of the consumer.

Parameters such as the measurement of oil and moisture are invaluable in the control of animal and fish feeds. Similarly, seed quality may also be judged on oil and moisture content with a rapid measurement determining acceptance or rejection and ultimately the price paid by the factory.

Recent advances in benchtop NMR (Nuclear Magnetic Resonance) mean that it is suitable as a fast and easy technique for assessing suspected edible oil contamination/adulteration and meat speciation. The system can be used to discriminate between different oil types and provide quantitative information for mixtures. The NMR spectra of triglycerides contain valuable information indicating what the meat species is.